SCHEMBL6432027

SCHEMBL6432027

O=C(NCC1CC1)[C@@H](c1ccccc1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
BCHE P06276 3/20 0.48
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
NPY2R P49146 2/20 0.45
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNA5 P22460 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
PTGIR P43119 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2341659 1.00 ALDH1A1 (0.53) ALDH1A1CYP1A2BCHEF2PRSS1
SCHEMBL2364197 0.84 BCHE (0.62) BCHESLC6A2SLC6A3CNR1CNR2
SCHEMBL11834924 0.73 CCR1 (0.47) ALDH1A1CYP1A2NPY2RGAAKDM4E
SCHEMBL1177971 0.73 ALDH1A1 (0.68) ALDH1A1CYP1A2GAAKDM4ELMNA
SCHEMBL1046242 0.73 F10 (0.47) ALDH1A1BCHEF2PRSS1KDM4E
SCHEMBL11857079 0.73 ALDH1A1 (0.46) ALDH1A1CYP1A2NPY2RGAAKDM4E
SCHEMBL11841818 0.71 CYP1A2 (0.50) ALDH1A1CYP1A2NPY2R
SCHEMBL14060543 0.70 ALDH1A1 (0.69) ALDH1A1CYP1A2GAAKDM4ELMNA
SCHEMBL7759530 0.70 ALDH1A1 (0.64) ALDH1A1CYP1A2GAAKDM4ELMNA
SCHEMBL639563 0.70 ALDH1A1 (0.64) ALDH1A1CYP1A2GAAKDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224163-B1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-03-30 EP claimed
US-6548522-B1 N-substituted 2,2-diphenylacetamide or N-substituted 2-phenyl-2-pyridinylacetamide HOFFMANN-LA ROCHE INC. 2003-04-15 US claimed
WO-2003004010-A1 CARBONYLAMINO DERIVATIVES USEFUL FOR OBTAINING IMMUNE REGULATION POSEIDON PHARMACEUTICALS A/S (DK) 2003-01-16 WO claimed
EP-1224163-A1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP claimed
WO-2001027070-A1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-19 WO claimed
US-9428568-B2 Compositions and methods for modulating cell-cell fusion via intermediate-conductance calcium-activated potassium channels BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-30 US disclosed
US-20110300152-A1 COMPOSITIONS AND METHODS FOR MODULATING CELL-CELL FUSION VIA INTERMEDIATE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS YALE UNIVERSITY (US) 2011-12-08 US disclosed
EP-1224163-B1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
US-6548522-B1 N-substituted 2,2-diphenylacetamide or N-substituted 2-phenyl-2-pyridinylacetamide HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
WO-2003004010-A1 CARBONYLAMINO DERIVATIVES USEFUL FOR OBTAINING IMMUNE REGULATION POSEIDON PHARMACEUTICALS A/S (DK) 2003-01-16 WO disclosed
EP-1224163-A1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001027070-A1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110300152-A1 COMPOSITIONS AND METHODS FOR MODULATING CELL-CELL FUSION VIA INTERMEDIATE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS KCNN3, KCNN4, KCNMA1 ALDH1A1 4653/4885CYP1A2 4644/4885BCHE 4323/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.